3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile

C14H21N3O2 — CID 63284375

IUPAC3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-19-9-8-17(7-3-6-15)11-14(18)12-4-2-5-13(16)10-12/h2,4-5,10,14,18H,3,7-9,11,16H2,1H3
InChIKeyTWPFEUJKQVGTCK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.16
Rot. Bonds8

About 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile

3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63284375) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile
PubChem CID63284375
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H21N3O2/c1-19-9-8-17(7-3-6-15)11-14(18)12-4-2-5-13(16)10-12/h2,4-5,10,14,18H,3,7-9,11,16H2,1H3
InChIKeyTWPFEUJKQVGTCK-UHFFFAOYSA-N
XLogP1.16
TPSA82.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
1-(3-amino-4-methylphenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 82071614
2-[2-hydroxyethyl(2-methoxyethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 115629672
1-(4-aminophenyl)-2-[2-methoxyethyl(2-methylpropyl)amino]ethanol
CID 62265758
3-[(3-bromo-2-methylpropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64995233
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582
2-[cyanomethyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetonitrile
CID 81137106
3-[(3-amino-4-hydroxyphenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63284896
2-[bis(2-methoxyethyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60980971
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
3-[(2-amino-6-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63330764

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile (CID 63284375) is 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CC(O)c1cccc(N)c1.
What is the InChIKey of 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is TWPFEUJKQVGTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-9-8-17(7-3-6-15)11-14(18)12-4-2-5-13(16)10-12/h2,4-5,10,14,18H,3,7-9,11,16H2,1H3.
What are the key properties of 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile?
3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 263.34 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63284375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).